(2R,10aR)-10a-methoxy-2-prop-1-en-2-yl-2,3-dihydropyrano[3,2-g][1,4]benzodioxine-7,10-dione

C15H14O6 — CID 163049615

IUPAC(2R,10aR)-10a-methoxy-2-prop-1-en-2-yl-2,3-dihydropyrano[3,2-g][1,4]benzodioxine-7,10-dione
SMILESC=C(C)[C@@H]1COC2=Cc3oc(=O)ccc3C(=O)[C@]2(OC)O1
InChIInChI=1S/C15H14O6/c1-8(2)11-7-19-12-6-10-9(4-5-13(16)20-10)14(17)15(12,18-3)21-11/h4-6,11H,1,7H2,2-3H3/t11-,15+/m0/s1
InChIKeyAFWDOXKNPPBFPP-XHDPSFHLSA-N
MW290.27 g/mol
LogP1.51
Rot. Bonds2

About (2R,10aR)-10a-methoxy-2-prop-1-en-2-yl-2,3-dihydropyrano[3,2-g][1,4]benzodioxine-7,10-dione

(2R,10aR)-10a-methoxy-2-prop-1-en-2-yl-2,3-dihydropyrano[3,2-g][1,4]benzodioxine-7,10-dione (PubChem CID 163049615) has the molecular formula C15H14O6 and a molecular weight of 290.27 g/mol. Its IUPAC name is (2R,10aR)-10a-methoxy-2-prop-1-en-2-yl-2,3-dihydropyrano[3,2-g][1,4]benzodioxine-7,10-dione.

Molecular Properties

Compound Name(2R,10aR)-10a-methoxy-2-prop-1-en-2-yl-2,3-dihydropyrano[3,2-g][1,4]benzodioxine-7,10-dione
PubChem CID163049615
Molecular FormulaC15H14O6
Molecular Weight290.27 g/mol
Exact Mass290.08
IUPAC Name(2R,10aR)-10a-methoxy-2-prop-1-en-2-yl-2,3-dihydropyrano[3,2-g][1,4]benzodioxine-7,10-dione
SMILESC=C(C)[C@@H]1COC2=Cc3oc(=O)ccc3C(=O)[C@]2(OC)O1
InChIInChI=1S/C15H14O6/c1-8(2)11-7-19-12-6-10-9(4-5-13(16)20-10)14(17)15(12,18-3)21-11/h4-6,11H,1,7H2,2-3H3/t11-,15+/m0/s1
InChIKeyAFWDOXKNPPBFPP-XHDPSFHLSA-N
XLogP1.51
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

2,2-Dimethyl-5-[(2,4,5-trimethoxycyclohexa-1,3-dien-1-yl)methylene]-1,3-dioxane-4,6-dione
CID 71595417
methyl 1-methoxy-5,8-dioxo-1H-isochromene-3-carboxylate
CID 18932697
(1,2-Dimethoxy-6-oxocyclohexa-2,4-dien-1-yl) acetate
CID 119089539
ethyl 6-methyl-4-oxo-6a,8-dihydro-6H-pyrano[2,3-h]chromene-2-carboxylate
CID 54120697
methyl 1-methoxy-5,10-dioxo-8,9-dihydro-1H-benzo[g]isochromene-3-carboxylate
CID 67720501
Ethyl 4,10a-dihydropyrano[3,2-g]chromene-2-carboxylate
CID 141546978
Ethyl 10,10b-dihydropyrano[2,3-f]chromene-8-carboxylate
CID 141546979
[4-[(Z)-2-(5-acetyloxy-4,5-dimethoxy-2-methyl-6-oxocyclohexa-1,3-dien-1-yl)ethenyl]-1-methoxy-6-oxocyclohexa-2,4-dien-1-yl] acetate
CID 10741373
[4-[(E)-2-(5-acetyloxy-4,5-dimethoxy-2-methyl-6-oxocyclohexa-1,3-dien-1-yl)ethenyl]-1-methoxy-6-oxocyclohexa-2,4-dien-1-yl] acetate
CID 10836470
10a-Methoxy-2-prop-1-en-2-yl-2,3-dihydropyrano[3,2-g][1,4]benzodioxine-7,10-dione
CID 14539942
[4-[2-(5-Acetyloxy-4,5-dimethoxy-2-methyl-6-oxocyclohexa-1,3-dien-1-yl)ethenyl]-1-methoxy-6-oxocyclohexa-2,4-dien-1-yl] acetate
CID 15969816

Frequently Asked Questions

What is the IUPAC name of (2R,10aR)-10a-methoxy-2-prop-1-en-2-yl-2,3-dihydropyrano[3,2-g][1,4]benzodioxine-7,10-dione?
The IUPAC name of (2R,10aR)-10a-methoxy-2-prop-1-en-2-yl-2,3-dihydropyrano[3,2-g][1,4]benzodioxine-7,10-dione (CID 163049615) is (2R,10aR)-10a-methoxy-2-prop-1-en-2-yl-2,3-dihydropyrano[3,2-g][1,4]benzodioxine-7,10-dione.
What is the SMILES notation for (2R,10aR)-10a-methoxy-2-prop-1-en-2-yl-2,3-dihydropyrano[3,2-g][1,4]benzodioxine-7,10-dione?
The canonical SMILES for (2R,10aR)-10a-methoxy-2-prop-1-en-2-yl-2,3-dihydropyrano[3,2-g][1,4]benzodioxine-7,10-dione is C=C(C)[C@@H]1COC2=Cc3oc(=O)ccc3C(=O)[C@]2(OC)O1.
What is the InChIKey of (2R,10aR)-10a-methoxy-2-prop-1-en-2-yl-2,3-dihydropyrano[3,2-g][1,4]benzodioxine-7,10-dione?
The InChIKey is AFWDOXKNPPBFPP-XHDPSFHLSA-N. The full InChI is InChI=1S/C15H14O6/c1-8(2)11-7-19-12-6-10-9(4-5-13(16)20-10)14(17)15(12,18-3)21-11/h4-6,11H,1,7H2,2-3H3/t11-,15+/m0/s1.
What are the key properties of (2R,10aR)-10a-methoxy-2-prop-1-en-2-yl-2,3-dihydropyrano[3,2-g][1,4]benzodioxine-7,10-dione?
(2R,10aR)-10a-methoxy-2-prop-1-en-2-yl-2,3-dihydropyrano[3,2-g][1,4]benzodioxine-7,10-dione has a molecular weight of 290.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,10aR)-10a-methoxy-2-prop-1-en-2-yl-2,3-dihydropyrano[3,2-g][1,4]benzodioxine-7,10-dione is sourced from PubChem (CID 163049615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).